2-Ethyl-3,6-dimethylpyrazine

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  • Identifiers

    CAS number
    13360-65-1

    Molecular formula
    C8H12N2

    SMILES
    CCC1=NC(=CN=C1C)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1082.0
    • Carbowax: 1436.5

  • Odor profile

    Nutty 83.99%
    Roasted 79.64%
    Cocoa 69.78%
    Hazelnut 66.08%
    Earthy 65.11%
    Musty 60.88%
    Coffee 59.05%
    Burnt 58.75%
    Chocolate 56.92%
    Potato 55.75%

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  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point est.
    66.37 ˚C

  • Synonyms

    • 3-Ethyl-2,5-dimethylpyrazine
    • 13360-65-1
    • 2-Ethyl-3,6-dimethylpyrazine
    • Pyrazine, 3-ethyl-2,5-dimethyl-
    • 2,5-DIMETHYL-3-ETHYLPYRAZINE
    • 3,6-cocoa pyrazine
    • G2FB13VLOG
    • 3,6-Dimethyl-2-ethylpyrazine
    • EINECS 236-417-1
    • 2E3,6DMP
    • DTXSID1065423
    • FEMA NO. 3149, 3,6-DIMETHYL-
    • UNII-G2FB13VLOG
    • 3-Ethyl-2,5-dimethylpyrazine; 2,5-Dimethyl-3-ethylpyrazine; 3,6-Dimethyl-2-ethylpyrazine;
    • CHEMBL95123
    • SCHEMBL160005
    • 2-ethyl-3,6-dimethyl pyrazine
    • DTXCID4034158
    • CHEBI:199156
    • Pyrazine, 2-ethyl-3,6-dimethyl
    • Pyrazine, 2-ethyl-3,?-dimethyl-
    • 2-Ethyl-3,5/6-dimethyl-Pyrazine
    • AKOS006271522
    • BS-14917
    • DB-117250
    • CS-0152557
    • NS00012398
    • F20894
    • Q27278651
    • 236-417-1

  • Applications

    2-Ethyl-3,6-dimethylpyrazine (CAS 13360-65-1) is a highly odor-active pyrazine with pronounced roasted, nutty, cocoa, coffee, and toasted-cereal notes, making it a versatile flavor ingredient to boost or recreate roast/grill profiles in chocolate and confectionery, instant coffee/cocoa, nut flavors (peanut, hazelnut), baked goods and breakfast cereals, seasoned snacks, soups–sauces–savory seasonings, barbecue/charred meat accords, and plant-based meat analogs; in reaction/thermal flavors it serves as a building block to open roasted top notes at very low doses (ppb–ppm) and is often pre-diluted in ethanol, propylene glycol, or triacetin for accurate dosing; beyond foods it is used at trace levels in tobacco flavors, gourmand fine fragrances and candles to add a toasted-nut facet, and as a reference/marker in aroma analysis (GC–MS, SPME) and in quality control of coffee/cocoa roasting; R&D applications include studying Maillard pyrazine formation, encapsulation, and controlled release; usage should comply with local flavor regulations and safety limits due to its extremely low odor threshold and strong sensory impact.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.43
    methanol 651.8
    isopropanol 288.68
    water 4.85
    ethyl acetate 416.65
    n-propanol 393.52
    acetone 434.77
    n-butanol 360.97
    acetonitrile 318.17
    DMF 713.86
    toluene 359.84
    isobutanol 329.72
    1,4-dioxane 704.62
    methyl acetate 383.17
    THF 875.04
    2-butanone 456.58
    n-pentanol 306.99
    sec-butanol 349.0
    n-hexane 186.51
    ethylene glycol 133.54
    NMP 829.75
    cyclohexane 169.86
    DMSO 618.36
    n-butyl acetate 465.65
    n-octanol 250.28
    chloroform 1627.09
    n-propyl acetate 307.52
    acetic acid 335.19
    dichloromethane 1615.88
    cyclohexanone 719.59
    propylene glycol 142.13
    isopropyl acetate 278.41
    DMAc 669.87
    2-ethoxyethanol 379.37
    isopentanol 318.71
    n-heptane 109.77
    ethyl formate 347.71
    1,2-dichloroethane 851.28
    n-hexanol 382.12
    2-methoxyethanol 527.73
    isobutyl acetate 230.98
    tetrachloromethane 490.04
    n-pentyl acetate 333.14
    transcutol 731.29
    n-heptanol 220.2
    ethylbenzene 246.82
    MIBK 280.25
    2-propoxyethanol 491.1
    tert-butanol 320.47
    MTBE 432.88
    2-butoxyethanol 328.92
    propionic acid 315.26
    o-xylene 282.38
    formic acid 158.11
    diethyl ether 473.92
    m-xylene 277.38
    p-xylene 332.64
    chlorobenzene 572.53
    dimethyl carbonate 208.53
    n-octane 63.05
    formamide 155.5
    cyclopentanone 790.12
    2-pentanone 389.42
    anisole 362.6
    cyclopentyl methyl ether 561.55
    gamma-butyrolactone 867.29
    1-methoxy-2-propanol 375.21
    pyridine 577.86
    3-pentanone 392.68
    furfural 810.63
    n-dodecane 50.04
    diethylene glycol 319.14
    diisopropyl ether 186.51
    tert-amyl alcohol 365.74
    acetylacetone 408.16
    n-hexadecane 56.45
    acetophenone 340.22
    methyl propionate 367.64
    isopentyl acetate 407.35
    trichloroethylene 1433.17
    n-nonanol 201.66
    cyclohexanol 360.9
    benzyl alcohol 284.09
    2-ethylhexanol 294.6
    isooctanol 187.09
    dipropyl ether 320.06
    1,2-dichlorobenzene 577.12
    ethyl lactate 177.17
    propylene carbonate 518.12
    n-methylformamide 345.8
    2-pentanol 273.63
    n-pentane 129.52
    1-propoxy-2-propanol 356.66
    1-methoxy-2-propyl acetate 341.83
    2-(2-methoxypropoxy) propanol 247.24
    mesitylene 202.82
    ε-caprolactone 609.82
    p-cymene 199.41
    epichlorohydrin 909.1
    1,1,1-trichloroethane 868.66
    2-aminoethanol 209.69
    morpholine-4-carbaldehyde 699.41
    sulfolane 1072.97
    2,2,4-trimethylpentane 97.19
    2-methyltetrahydrofuran 755.4
    n-hexyl acetate 432.54
    isooctane 62.34
    2-(2-butoxyethoxy)ethanol 327.45
    sec-butyl acetate 228.15
    tert-butyl acetate 312.36
    decalin 119.79
    glycerin 196.12
    diglyme 619.13
    acrylic acid 286.78
    isopropyl myristate 179.09
    n-butyric acid 405.5
    acetyl acetate 288.05
    di(2-ethylhexyl) phthalate 176.25
    ethyl propionate 309.69
    nitromethane 462.16
    1,2-diethoxyethane 409.66
    benzonitrile 450.34
    trioctyl phosphate 137.62
    1-bromopropane 621.29
    gamma-valerolactone 845.01
    n-decanol 154.71
    triethyl phosphate 183.7
    4-methyl-2-pentanol 169.39
    propionitrile 359.62
    vinylene carbonate 526.05
    1,1,2-trichlorotrifluoroethane 549.59
    DMS 322.66
    cumene 200.74
    2-octanol 192.21
    2-hexanone 338.1
    octyl acetate 217.65
    limonene 264.53
    1,2-dimethoxyethane 623.35
    ethyl orthosilicate 185.84
    tributyl phosphate 177.74
    diacetone alcohol 282.66
    N,N-dimethylaniline 295.12
    acrylonitrile 412.27
    aniline 346.47
    1,3-propanediol 271.05
    bromobenzene 681.2
    dibromomethane 1117.82
    1,1,2,2-tetrachloroethane 1182.22
    2-methyl-cyclohexyl acetate 277.92
    tetrabutyl urea 210.06
    diisobutyl methanol 158.78
    2-phenylethanol 322.81
    styrene 275.82
    dioctyl adipate 222.38
    dimethyl sulfate 343.05
    ethyl butyrate 331.96
    methyl lactate 196.76
    butyl lactate 231.0
    diethyl carbonate 242.94
    propanediol butyl ether 270.42
    triethyl orthoformate 243.63
    p-tert-butyltoluene 186.45
    methyl 4-tert-butylbenzoate 299.62
    morpholine 634.06
    tert-butylamine 259.96
    n-dodecanol 125.06
    dimethoxymethane 510.88
    ethylene carbonate 431.09
    cyrene 271.98
    2-ethoxyethyl acetate 350.8
    2-ethylhexyl acetate 362.0
    1,2,4-trichlorobenzene 637.88
    4-methylpyridine 666.05
    dibutyl ether 333.97
    2,6-dimethyl-4-heptanol 158.78
    DEF 533.92
    dimethyl isosorbide 440.67
    tetrachloroethylene 926.22
    eugenol 291.62
    triacetin 302.38
    span 80 238.84
    1,4-butanediol 168.75
    1,1-dichloroethane 804.65
    2-methyl-1-pentanol 311.11
    methyl formate 330.13
    2-methyl-1-butanol 362.13
    n-decane 79.68
    butyronitrile 431.35
    3,7-dimethyl-1-octanol 217.24
    1-chlorooctane 251.3
    1-chlorotetradecane 107.81
    n-nonane 87.63
    undecane 60.73
    tert-butylcyclohexane 122.37
    cyclooctane 82.52
    cyclopentanol 404.52
    tetrahydropyran 657.19
    tert-amyl methyl ether 406.44
    2,5,8-trioxanonane 390.96
    1-hexene 351.66
    2-isopropoxyethanol 272.37
    2,2,2-trifluoroethanol 165.23
    methyl butyrate 399.48

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Coriander fruit 5 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 13.82%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.13%